SCHEMBL6068758

SCHEMBL6068758

CC1=C(c2ccc(C(=O)N3Cc4cccn4Cc4ccccc43)cc2)CCCC1O

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 10/20 0.67
AVPR2 P30518 8/20 0.67

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5118713 0.87 AVPR1A (0.57) AVPR1AAVPR2
SCHEMBL5106769 0.87 AVPR1A (0.57) AVPR1AAVPR2
SCHEMBL6068860 0.87 AVPR1A (0.57) AVPR1AAVPR2
SCHEMBL5119365 0.87 AVPR1A (0.73) AVPR1AAVPR2
SCHEMBL6068646 0.86 AVPR2 (0.59) AVPR1AAVPR2
SCHEMBL6068527 0.83 AVPR1A (0.70) AVPR1AAVPR2
SCHEMBL6068887 0.82 AVPR1A (0.68) AVPR1AAVPR2
SCHEMBL6068943 0.81 AVPR1A (0.67) AVPR1AAVPR2
SCHEMBL3554976 0.79 AVPR1A (1.00) AVPR1AAVPR2
SCHEMBL13403212 0.79 AVPR1A (0.85) AVPR1AAVPR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7022699-B2 Cyclohexenyl phenyl diazepines vasopressin and oxytocin receptor modulators WYETH (US) 2006-04-04 US claimed
EP-1377584-B1 NOVEL CYCLOHEXENYL PHENYL DIAZEPINES AS VASOPRESSIN AND OXYTOCIN RECEPTOR MODULATORS WYETH CORP (US) 2005-02-16 EP claimed
EP-1377584-A1 NOVEL CYCLOHEXENYL PHENYL DIAZEPINES AS VASOPRESSIN AND OXYTOCIN RECEPTOR MODULATORS Wyeth (US) 2004-01-07 EP claimed
US-20020198196-A1 Novel cyclohexenyl phenyl diazepines vasopressin and oxytocin receptor modulators WYETH 2002-12-26 US claimed
WO-2002083681-A1 NOVEL CYCLOHEXENYL PHENYL DIAZEPINES VASOPRESSIN AND OXYTOCIN RECEPTOR MODULATORS WYETH (US) 2002-10-24 WO claimed
US-7022699-B2 Cyclohexenyl phenyl diazepines vasopressin and oxytocin receptor modulators WYETH (US) 2006-04-04 US disclosed
EP-1377584-B1 NOVEL CYCLOHEXENYL PHENYL DIAZEPINES AS VASOPRESSIN AND OXYTOCIN RECEPTOR MODULATORS WYETH CORP (US) 2005-02-16 EP disclosed
EP-1377584-A1 NOVEL CYCLOHEXENYL PHENYL DIAZEPINES AS VASOPRESSIN AND OXYTOCIN RECEPTOR MODULATORS Wyeth (US) 2004-01-07 EP disclosed
US-20020198196-A1 Novel cyclohexenyl phenyl diazepines vasopressin and oxytocin receptor modulators WYETH 2002-12-26 US disclosed
WO-2002083681-A1 NOVEL CYCLOHEXENYL PHENYL DIAZEPINES VASOPRESSIN AND OXYTOCIN RECEPTOR MODULATORS WYETH (US) 2002-10-24 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020198196-A1 Novel cyclohexenyl phenyl diazepines vasopressin and oxytocin receptor modulators OXTR, AVPR2, AVPR1B AVPR1A 4/4885AVPR2 2/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.